N-(2-methylsulfonylethyl)pentan-3-amine

C8H19NO2S — CID 60711918

IUPACN-(2-methylsulfonylethyl)pentan-3-amine
SMILESCCC(CC)NCCS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-4-8(5-2)9-6-7-12(3,10)11/h8-9H,4-7H2,1-3H3
InChIKeyPNPLLMJNOHNMJA-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.81
Rot. Bonds6

About N-(2-methylsulfonylethyl)pentan-3-amine

N-(2-methylsulfonylethyl)pentan-3-amine (PubChem CID 60711918) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)pentan-3-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)pentan-3-amine
PubChem CID60711918
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(2-methylsulfonylethyl)pentan-3-amine
SMILESCCC(CC)NCCS(C)(=O)=O
InChIInChI=1S/C8H19NO2S/c1-4-8(5-2)9-6-7-12(3,10)11/h8-9H,4-7H2,1-3H3
InChIKeyPNPLLMJNOHNMJA-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylsulfonylethyl)pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-(2-methylsulfonylethyl)heptan-3-amine
CID 60920928
N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide
CID 77025369
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
ethane;N-(2-methylsulfonylethyl)propan-2-amine
CID 142531419
1-N-methyl-1-N-(2-methylsulfonylethyl)-2-N-propylbutane-1,2-diamine
CID 79850617
4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
CID 60920037
(2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
CID 104867919
1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 60713855
N-(2-methylsulfonylethyl)nonan-2-amine
CID 60920601
1-(4-ethylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 54932076
2-[1-(2-methylsulfonylethylamino)propyl]phenol
CID 54931599
N-methyl-2-(2-methylsulfonylethylamino)propanamide
CID 60918919

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)pentan-3-amine?
The IUPAC name of N-(2-methylsulfonylethyl)pentan-3-amine (CID 60711918) is N-(2-methylsulfonylethyl)pentan-3-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)pentan-3-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)pentan-3-amine is CCC(CC)NCCS(C)(=O)=O.
What is the InChIKey of N-(2-methylsulfonylethyl)pentan-3-amine?
The InChIKey is PNPLLMJNOHNMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-4-8(5-2)9-6-7-12(3,10)11/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(2-methylsulfonylethyl)pentan-3-amine?
N-(2-methylsulfonylethyl)pentan-3-amine has a molecular weight of 193.31 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)pentan-3-amine is sourced from PubChem (CID 60711918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).